2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanedioic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanedioic acid

CAS: 296261-32-0

Formula: C18H15NO6

SMILES: OC(=O)C(NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanedioic acid

InChI: InChI=1S/C18H15NO6/c20-16(21)15(17(22)23)19-18(24)25-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9H2,(H,19,24)(H,20,21)(H,22,23)

Composition: C (63.34%), H (4.43%), N (4.10%), O (28.12%)

Molar Mass: 341.319

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	341.089937207
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	JEHDYXCNIBCDDG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.06
Topological Polar Surface Area	112.93
Polarizability	34.54
Ring Count	3
Rotatable Bond Count	6

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